2-[(2-methoxyethyl)amino]acetamide hydrochloride

• ChemBase ID: 266603
• Molecular Formular: C5H13ClN2O2
• Molecular Mass: 168.62192
• Monoisotopic Mass: 168.06655535
• SMILES: C(=O)(N)CNCCOC.Cl
• Canonical SMILES: COCCNCC(=O)N.Cl
• InChI: InChI=1S/C5H12N2O2.ClH/c1-9-3-2-7-4-5(6)8;/h7H,2-4H2,1H3,(H2,6,8);1H
• InChIKey: LYZGRXRVXHMQHW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(2-methoxyethyl)amino]acetamide hydrochloride
• IUPAC Traditional name: 2-[(2-methoxyethyl)amino]acetamide hydrochloride
• Synonyms: 2-[(2-methoxyethyl)amino]acetamide hydrochloride

Database IDs

• MDL Number: MFCD15209706
• PubChem SID: 164322513
• PubChem CID: 47002751

CALCULATED PROPERTIES

• Acid pKa: 16.310196
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.159506
• LogD (pH = 7.4): -2.4305031
• Log P: -1.5688133
• Molar Refractivity: 33.6437 cm^3
• Polarizability: 13.404116 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 125 - 127°C
• Hydrophobicity(logP): -1.24

Product Information

• Purity: 95%